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Rifampicin quinone

Rifampicin quinone structure

CAS No:
13983-13-6
Formula:
C43H56N4O12
Chemical Name:
Rifampicin quinone
Synonyms:
Rifamycin,1,4-dideoxy-1,4-dihydro-3-[(E)-[(4-methyl-1-piperazinyl)imino]methyl]-1,4-dioxo-;2,7-(Epoxypentadeca[1,11,13]trienimino)naphtho[2,1-b]furan-1,6,9,11(2H)-tetrone,5,17,19,21-tetrahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-8-[N-(4-methyl-1-piperazinyl)formimidoyl]-,21-acetate;2,7-(Epoxypentadeca[1,11,13]trienimino)naphtho[2,1-b]furan,rifamycin deriv.;1,4-Dideoxy-1,4-dihydro-3-[(E)-[(4-methyl-1-piperazinyl)imino]methyl]-1,4-dioxorifamycin;Rifaldazinequinone;Rifampicin quinone;Rifampin quinone;NSC 145633;123683-19-2;23100-90-5;79623-40-8
Categories:
Active Pharmaceutical Ingredients > Antibiotics

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Rifampicin quinone Basic Attributes

Molecular Weight：

820.931

Exact Mass：

820.92

HScode：

2933599550

Characteristics

PSA：

213.83000

XLogP3：

3.43830

Density：

1.34±0.1 g/cm3(Predicted)

Melting Point：

185 °C

Boiling Point：

937.5ºC at 760 mmHg

Flash Point：

520.8ºC

Refractive Index：

1.613

Vapor Pressure：

0mmHg at 25°C

Safety Information

wgk germany：

Drug Information

MeSH Entry Terms：

dehydrorifampicin

Rifampicin quinone Use and Manufacturing

Rifampicin Quinone is a metabolite of Rifampicin (R508000). Rifampicin Quinone acts as an immunosuppressant unlike Rifampicin.

Computed Properties

Molecular Weight:820.9
XLogP3:4.3
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:15
Rotatable Bond Count:5
Exact Mass:820.38947323
Monoisotopic Mass:820.38947323
Topological Polar Surface Area:214
Heavy Atom Count:59
Complexity:1780
Defined Atom Stereocenter Count:9
Defined Bond Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes